SCHEMBL1678426

SCHEMBL1678426

C=CCS(=O)(=O)Nc1cccc(-c2ccc(C)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 6/20 0.47
PDE4B Q07343 2/20 0.45
KIF11 P52732 1/20 0.44
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
HSP90AA1 P07900 1/20 0.43
THRB P10828 1/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KDM1A O60341 1/20 0.40
SYK P43405 1/20 0.40
GRIA2 P42262 1/20 0.40
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.38
AR P10275 1/20 0.38
TDP2 O95551 1/20 0.38
BRDT Q58F21 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1678425 0.87 BRD4 (0.42) BRD4PDE4BKIF11KDM1AGRIA2
SCHEMBL1679407 0.85 CA1 (0.46) PDE4BKIF11ALDH1A1LMNATHRB
SCHEMBL12717441 0.82 SYK (0.42) BRD4PDE4BALDH1A1LMNAHSP90AA1
SCHEMBL7179130 0.77 KIF11 (0.68) BRD4KIF11ALDH1A1LMNAHSP90AA1
SCHEMBL11594040 0.75 HTR6 (0.51) ALDH1A1LMNA
SCHEMBL321565 0.73 KEAP1 (0.47) ALDH1A1LMNAHPGDAR
SCHEMBL1679405 0.71 KIF11 (0.41) PDE4BKIF11LMNAHPGDSMN1; SMN2
SCHEMBL21808588 0.69 HPGD (0.52) KIF11ALDH1A1HPGDNPSR1SYK
SCHEMBL23576809 0.68 NPC1 (0.42) BRD4KIF11HPGD
SCHEMBL7179126 0.67 KIF11 (0.66) BRD4KIF11ALDH1A1LMNAHPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use TRANSTECH PHARMA, INC. (US) 2011-04-21 US claimed
JP-2007523903-A 2007-08-23 JP claimed
EP-1730118-A1 SUBSTITUTED AZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE Transtech Pharma, Inc. (US) 2006-12-13 EP claimed
WO-2005080346-A1 SUBSTITUTED AZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-09-01 WO claimed
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use TRANSTECH PHARMA, INC. 2005-08-25 US claimed
US-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use TRANSTECH PHARMA, INC. (US) 2011-04-21 US disclosed
EP-1730118-A1 SUBSTITUTED AZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE Transtech Pharma, Inc. (US) 2006-12-13 EP disclosed
WO-2005080346-A1 SUBSTITUTED AZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-09-01 WO disclosed
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use TRANSTECH PHARMA, INC. 2005-08-25 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use PTPRO, PTPN5, PTPRE BRD4 4421/4885PDE4B 226/4885KIF11 4022/4885
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE BRD4 4421/4885PDE4B 226/4885KIF11 4022/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.